[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate

C15H16F4O3 — CID 20591361

IUPAC[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H16F4O3/c1-8-2-4-9(5-3-8)14(20)21-10-6-11(16)13(12(17)7-10)22-15(18)19/h6-9,15H,2-5H2,1H3
InChIKeyOJHSKKFDCKOBDA-UHFFFAOYSA-N
MW320.28 g/mol
LogP4.30
Rot. Bonds4

About [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate

[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate (PubChem CID 20591361) has the molecular formula C15H16F4O3 and a molecular weight of 320.28 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate
PubChem CID20591361
Molecular FormulaC15H16F4O3
Molecular Weight320.28 g/mol
Exact Mass320.10
IUPAC Name[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H16F4O3/c1-8-2-4-9(5-3-8)14(20)21-10-6-11(16)13(12(17)7-10)22-15(18)19/h6-9,15H,2-5H2,1H3
InChIKeyOJHSKKFDCKOBDA-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(difluoromethoxy)-3-fluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 20591362
[4-(difluoromethoxy)-3,5-difluorophenyl] 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexane-1-carboxylate
CID 139869881
[4-(difluoromethoxy)-3,5-difluorophenyl] 1-heptylsilinane-4-carboxylate
CID 54217420
[4-(difluoromethoxy)-3,5-difluorophenyl] 4-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexane-1-carboxylate
CID 139869272
[3,5-difluoro-4-(trifluoromethoxy)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 20654468
(3,4-difluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 161466235
[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 23534752
2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene
CID 20591349
[3,5-difluoro-4-(2-methylprop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 165055517
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
[4-(difluoromethoxy)-3,5-difluorophenyl] 5-ethoxy-1,3-dioxane-2-carboxylate
CID 54525343

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate?
The IUPAC name of [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate (CID 20591361) is [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate is CC1CCC(C(=O)Oc2cc(F)c(OC(F)F)c(F)c2)CC1.
What is the InChIKey of [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate?
The InChIKey is OJHSKKFDCKOBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O3/c1-8-2-4-9(5-3-8)14(20)21-10-6-11(16)13(12(17)7-10)22-15(18)19/h6-9,15H,2-5H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate?
[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate has a molecular weight of 320.28 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 20591361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).